4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide

C11H22N2O3 — CID 79249257

IUPAC4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide
SMILESCC(C)C(CO)NC(=O)C1(C)COCC1N
InChIInChI=1S/C11H22N2O3/c1-7(2)8(4-14)13-10(15)11(3)6-16-5-9(11)12/h7-9,14H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyHCYMWLIROTVOHU-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.52
Rot. Bonds4

About 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide

4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide (PubChem CID 79249257) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide
PubChem CID79249257
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide
SMILESCC(C)C(CO)NC(=O)C1(C)COCC1N
InChIInChI=1S/C11H22N2O3/c1-7(2)8(4-14)13-10(15)11(3)6-16-5-9(11)12/h7-9,14H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyHCYMWLIROTVOHU-UHFFFAOYSA-N
XLogP-0.52
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide (CID 79249257) is 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide is CC(C)C(CO)NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide?
The InChIKey is HCYMWLIROTVOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)8(4-14)13-10(15)11(3)6-16-5-9(11)12/h7-9,14H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide?
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 79249257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).